Our work involves FEP, ab-initio and MD simulations of biological relevant molecules. Specifically, we completed work on the free energy of solvation of acetamide, N-methylacetamide, N,N-dimethylacetamide, ammonia and methylamine in cyclohexane in an attempt to understand their experimental non-additive orders of aqueous solvation. We also completed ab-initio and AMBER calculations on amide-water complexes as part of this investigation. MD simulations of fully solvated photodamaged DNA were also completed. MidasPlus in the Computer Graphics Laboratory is used to comprehensively compare the smulated and NMR structures. Lastly, MD PME- LES simulations of DNA hexamers with G-G base pairs is on-going. For all of these studies we use the Computer Graphics Laboratory extensively for visualization of our complex solute/solvent systems.